IN SILICO TOXIC EFFECTS OF 2-(4-TERT-BUTYLPHENYL) PROPANAL, 3-(4-TERT-BUTYLPHENYL)-2-METHYLPROPANAL AND LILAL MOLECULES AND PREGNANCY

Abstract

In our daily lives, we are exposed to many chemicals originating from products such as cosmetics, cleaning products, and food. These substances may be potential carcinogens and endocrine disruptors. In recent years, BMHCA (3-(4-(tert-butyl) phenyl)-2-methylpropanal, Lilial) and its derivatives have attracted much attention. These substances are generally used in products for fragrance purposes. BMHCA has been published in the EU Cosmetic Products Regulation and banned in cosmetic products offered in the EU and Northern Ireland markets. In this study, the toxic effects of 2-(4-tert-butylphenyl) propanal, 3-(4-tert-butylphenyl)-2-methylpropanal, and Lilal were determined by in silico analysis. According to the results obtained, it was determined that the molecules had moderate and high toxicity levels. The common features of all these compounds include their ability to cross the blood-brain barrier (BBB) at a high rate and their potential to be moderately to highly carcinogenic. Our study is a preliminary study and needs to be supported by in vitro and in vivo studies.

Keywords

• BMHCA(Lilial)
• Carcinogens
• Obstetrics and Gynaecology
• Pregnancy
• Toxicity

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